3-butyl-1-[(5-chloranylthiophen-2-yl)methyl]-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[(5-chloranylthiophen-2-yl)methyl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[(5-chloro-2-thienyl)methyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[(5-chloro-2-thiophenyl)methyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[(5-chlorothiophen-2-yl)methyl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[(5-chloro-2-thienyl)methyl]-7-(2-furfuryl)xanthine Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(S3)Cl)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(S3)Cl)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C19H19ClN4O3S/c1-2-3-8-23-17-16(22(12-21-17)10-13-5-4-9-27-13)18(25)24(19(23)26)11-14-6-7-15(20)28-14/h4-7,9,12H,2-3,8,10-11H2,1H3